N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1H-pyrazole-3-carboxamide

C22H27N5O — CID 24791295

IUPACN-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)n[nH]1
InChIInChI=1S/C22H27N5O/c1-14-12-19(26-25-14)21(28)24-18-6-5-7-20-17(18)13-23-27(20)16-10-8-15(9-11-16)22(2,3)4/h8-13,18H,5-7H2,1-4H3,(H,24,28)(H,25,26)
InChIKeyBJWGVPXUBQLRJG-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.01
Rot. Bonds3

About N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1H-pyrazole-3-carboxamide

N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 24791295) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID24791295
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)n[nH]1
InChIInChI=1S/C22H27N5O/c1-14-12-19(26-25-14)21(28)24-18-6-5-7-20-17(18)13-23-27(20)16-10-8-15(9-11-16)22(2,3)4/h8-13,18H,5-7H2,1-4H3,(H,24,28)(H,25,26)
InChIKeyBJWGVPXUBQLRJG-UHFFFAOYSA-N
XLogP4.01
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1H-pyrazole-3-carboxamide (CID 24791295) is N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)n[nH]1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is BJWGVPXUBQLRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-14-12-19(26-25-14)21(28)24-18-6-5-7-20-17(18)13-23-27(20)16-10-8-15(9-11-16)22(2,3)4/h8-13,18H,5-7H2,1-4H3,(H,24,28)(H,25,26).
What are the key properties of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1H-pyrazole-3-carboxamide?
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 24791295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).